Summary

IMPPAT Phytochemical identifier: IMPHY000049

Phytochemical name: Atroviridin

Synonymous chemical names:
atroviridin

External chemical identifiers:
CID:11267348, ChEMBL:CHEMBL4218812, ChEBI:174366, ZINC:ZINC000014618653

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Chemical structure information

SMILES:
Oc1ccc2c(c1)c(=O)c1c(o2)c(O)c2c(c1O)C=CC(O2)(C)C

InChI:
InChI=1S/C18H14O6/c1-18(2)6-5-9-13(20)12-14(21)10-7-8(19)3-4-11(10)23-17(12)15(22)16(9)24-18/h3-7,19-20,22H,1-2H3

InChIKey:
LPOCFPIHJNBUIN-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)c=O)cco6)cO)ccc6O))C=CCO6)C)C

Functional groups:
c=O, cC=CC, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2cc3c(cc12)C=CCO3

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CC3OCCCC3CC21

Scaffold Graph level:
CC1C2CCCCC2CC2CC3CCCCC3CC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 2.509

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Chemical structure download